(E)-3-(3-ethyl-5-methoxyphenyl)prop-2-en-1-amine

C12H17NO — CID 117282502

IUPAC(E)-3-(3-ethyl-5-methoxyphenyl)prop-2-en-1-amine
SMILESCCc1cc(/C=C/CN)cc(OC)c1
InChIInChI=1S/C12H17NO/c1-3-10-7-11(5-4-6-13)9-12(8-10)14-2/h4-5,7-9H,3,6,13H2,1-2H3/b5-4+
InChIKeyBKAGYGXYFDPCGI-SNAWJCMRSA-N
MW191.27 g/mol
LogP2.23
Rot. Bonds4

About (E)-3-(3-ethyl-5-methoxyphenyl)prop-2-en-1-amine

(E)-3-(3-ethyl-5-methoxyphenyl)prop-2-en-1-amine (PubChem CID 117282502) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (E)-3-(3-ethyl-5-methoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3-ethyl-5-methoxyphenyl)prop-2-en-1-amine
PubChem CID117282502
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(E)-3-(3-ethyl-5-methoxyphenyl)prop-2-en-1-amine
SMILESCCc1cc(/C=C/CN)cc(OC)c1
InChIInChI=1S/C12H17NO/c1-3-10-7-11(5-4-6-13)9-12(8-10)14-2/h4-5,7-9H,3,6,13H2,1-2H3/b5-4+
InChIKeyBKAGYGXYFDPCGI-SNAWJCMRSA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-en-1-amine
CID 117282507
1-[(E)-dec-1-enyl]-3,5-dimethoxybenzene
CID 102295508
3-(3,5-dimethoxyphenyl)prop-2-en-1-ol
CID 71346140
2-[(E)-3-aminoprop-1-enyl]-4-ethyl-6-methoxyphenol
CID 117295929
1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 139077239
4-(3-chloro-5-methoxyphenyl)but-3-en-1-amine
CID 170486814
3-[(Z)-hept-1-enyl]-5-methoxyphenol;methane
CID 158001275
1-tert-butyl-3-ethyl-5-methoxybenzene
CID 154541543
(E)-3-(3-chloro-5-methoxy-2-methylphenyl)prop-2-en-1-amine
CID 117302321
4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-methylphenol
CID 117283631
1-[(E)-but-1-enyl]-3-methoxybenzene
CID 5382989
ethanamine;1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 159851450

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-ethyl-5-methoxyphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(3-ethyl-5-methoxyphenyl)prop-2-en-1-amine (CID 117282502) is (E)-3-(3-ethyl-5-methoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3-ethyl-5-methoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(3-ethyl-5-methoxyphenyl)prop-2-en-1-amine is CCc1cc(/C=C/CN)cc(OC)c1.
What is the InChIKey of (E)-3-(3-ethyl-5-methoxyphenyl)prop-2-en-1-amine?
The InChIKey is BKAGYGXYFDPCGI-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-10-7-11(5-4-6-13)9-12(8-10)14-2/h4-5,7-9H,3,6,13H2,1-2H3/b5-4+.
What are the key properties of (E)-3-(3-ethyl-5-methoxyphenyl)prop-2-en-1-amine?
(E)-3-(3-ethyl-5-methoxyphenyl)prop-2-en-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-ethyl-5-methoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 117282502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).